SCHEMBL9548688

SCHEMBL9548688

N#C[C@]1(CO)O[C@H](n2cnc3c(N)nc(N)nc32)C[C@@H]1O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHCY P23526 3/20 0.50
PNP P00491 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ADORA2A P29274 1/20 0.40
HSP90B1 P14625 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
HSP90AA1 P07900 1/20 0.39
SLC28A1 O00337 1/20 0.39
SLC28A2 O43868 1/20 0.39
NT5E P21589 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12237558 1.00 AHCY (0.50) AHCYPNPLMNATP53HTT
SCHEMBL9548676 1.00 AHCY (0.50) AHCYPNPLMNATP53HTT
SCHEMBL30662535 0.91 AHCY (0.49) AHCYPNPLMNATP53HTT
SCHEMBL2524218 0.91 AHCY (0.49) AHCYPNPLMNATP53HTT
SCHEMBL12238023 0.91 AHCY (0.49) AHCYPNPLMNATP53HTT
SCHEMBL12214156 0.91 AHCY (0.49) AHCYPNPLMNATP53HTT
SCHEMBL31653046 0.91 AHCY (0.49) AHCYPNPLMNATP53HTT
SCHEMBL7210684 0.91 AHCY (0.49) AHCYPNPLMNATP53HTT
SCHEMBL2523178 0.90 AHCY (0.52) AHCYPNPLMNATP53HTT
SCHEMBL2523180 0.90 AHCY (0.52) AHCYPNPLMNATP53HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed